Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-43428
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'O']
  • Chemical System: Nb-O-Ti
  • Density: 4.198993981544291
  • Atomic Density: 0.08324857228497372
  • Unit Cell Volume: 288.29323243939854
  • Molar Volume: 7.233926774606068
  • Full Formula: Ti6 Nb2 O16
  • Reduced Formula: Ti3NbO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm